CAS 53929-74-1 3-Bromo-N,N-dimethylpropan-1-amine (HCID 12440775)

Substructure search Find similar structures

Basic information

CAS: 53929-74-1
Standard SMILES: CN(C)CCCBr
InChIKey: BIWJXEPRNRDVPB-UHFFFAOYSA-N
Molecular formula: C5H12BrN
Average molar mass: 166.06 g/mol
Monoisotopic mass: 165.01531148

Names & identifiers

Preferred name: 3-Bromo-N,N-dimethylpropan-1-amine
IUPAC: 3-bromo-N,N-dimethylpropan-1-amine
English name: (3-Bromo-propyl)-dimethyl-amine
Molecular formula: C5H12BrN
Molecular weight: 166.06

Names & synonyms

53929-74-13-BROMO-N,N-DIMETHYLPROPAN-1-AMINEDTXSID70498359RefChem:277706DTXCID70449169(3-BROMOPROPYL)DIMETHYLAMINE(3-bromo-propyl)-dimethyl-amine3-bromo-N,N-dimethyl-1-propanamine1-Propanamine, 3-bromo-N,N-dimethyl-(3-bromopropyl) dimethylamine3-dimethylamino-1-bromopropaneAV9D9J4CFE

Show more names

3-Bromo-N,N-dimethyl-1-propylamine(3-BroMo-propyl)-diMethyl-aMine HBr3-broMo-N,N-diMethylpropan-1-aMine 5 g3-BroMo-N,N-diMethylpropan-1-aMine hydrobroMide, 95+%

SCHEMBL8957783-(Dimethylamino)propyl bromide3-Bromo-N,N-dimethylpropanamine3-dimethylamino-n-propyl bromide1-Bromo-3-(dimethylamino)propaneBIWJXEPRNRDVPB-UHFFFAOYSA-N3-(N,N-Dimethylamino)propyl bromideN-(3-bromopropyl)-N,N-dimethylamine

Database identifiers

CAS: 53929-74-1
PubChem CID: 12440775
DTXSID: DTXSID70498359
UNII: AV9D9J4CFE

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 37.1

Physicochemical properties

Melting point: 176 °C · 176 °C
Boiling point: 51 °C · 51 °C(Press: 15 Torr)
Density: 1.2312 g/cm3 · 1.2312 g/cm3
pka: 9.14 · 9.14±0.28(Predicted)
HS Code: 2921199990 · 2921199990

Safety & regulation

Safety data

hs_code: 2921199990

Chemistry & industry

Applications · 1 item

Uses(3-Bromopropyl)dimethylamine can be used as a pharmaceutical and chemical synthesis intermediate. If (3-Bromopropyl)dimethylamine is inhaled, move the patient to fresh air; if skin contact occurs, remove contaminated clothing, thoroughly wash skin with soap and water, and seek medical attention if discomfort persists.